SCHEMBL1592091

SCHEMBL1592091

COC(=O)c1cc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc(-c2ccnc(NC3CCCCC3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 13/20 0.51
PRKD2 Q9BZL6 10/20 0.51
SYK P43405 1/20 0.49
ADRB1 P08588 1/20 0.47
USP30 Q70CQ3 4/20 0.45
PIK3CD O00329 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1592087 0.93 PRKD1 (0.51) PRKD1PRKD2SYKADRB1USP30
SCHEMBL1592040 0.87 PRKD1 (0.63) PRKD1PRKD2SYKADRB1
SCHEMBL15820384 0.81 NOS2 (0.55) SYKNOS3NOS1NOS2
SCHEMBL1424330 0.81 PRKD1 (0.58) PRKD1PRKD2SYKADRB1
SCHEMBL1592497 0.81 PRKD1 (0.56) PRKD1PRKD2ADRB1
SCHEMBL1424326 0.81 PRKD1 (0.58) PRKD1PRKD2SYKADRB1
SCHEMBL1591457 0.81 PRKD1 (0.56) PRKD1PRKD2ADRB1
SCHEMBL1424331 0.81 PRKD1 (0.58) PRKD1PRKD2SYKADRB1
SCHEMBL1579196 0.78 PRKD1 (0.80) PRKD1PRKD2ADRB1
SCHEMBL1592501 0.78 PRKD1 (0.80) PRKD1PRKD2ADRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092505-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-21 US disclosed
US-20110092505-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110092505-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 PRKD1 4750/4885PRKD2 4659/4885SYK 3094/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.